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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 11(23), p. 6880-6887, 2021
DOI: 10.1039/d0cp05595f
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Data-driven analysis of the electronic-structure factors controlling the work functions of perovskite oxides
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Abstract
Tuning the work functions of materials is critical to the performance of microelectronic and (photo)electrochemical devices. We validate data-driven models to predict the work functions of cubic perovskites from simple electronic descriptors.